Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus
Type | Article | ||||||||||||||||
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Date | 2022-01 | ||||||||||||||||
Language | English | ||||||||||||||||
Author(s) | Makshakova Olga1, Zykwinska Agata2, Cuenot Stéphane3, Colliec-Jouault Sylvia2, Perez Serge4 | ||||||||||||||||
Affiliation(s) | 1 : Kazan Institute of Biochemistry and Biophysics, FRC Kazan Scientific Center of RAS, Lobachevsky Str., 2/31, 420111 Kazan, Russian Federation 2 : Ifremer, Laboratoire Ecosystèmes Microbiens et Molécules Marines pour les Biotechnologies, 44311 Nantes, France 3 : Université de Nantes, CNRS, Institut des Matériaux Jean Rouxel, IMN, Nantes, France 4 : Centre de Recherches sur les Macromolécules Végétales, Université de Grenoble Alpes, Centre National de la Recherche Scientifique, Grenoble, France |
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Source | Carbohydrate Polymers (0144-8617) (Elsevier BV), 2022-01 , Vol. 276 , P. 118732 (11p.) | ||||||||||||||||
DOI | 10.1016/j.carbpol.2021.118732 | ||||||||||||||||
WOS© Times Cited | 8 | ||||||||||||||||
Keyword(s) | Exopolysaccharides, Alteromonas infernus, 3 dimensional structures, Gel forming, Molecular dynamics, Quantum chemistry, Calcium binding | ||||||||||||||||
Abstract | The exopolysaccharide Infernan, from the bacterial strain GY785, has a complex repeating unit of nine monosaccharides established on a double-layer of sidechains. A cluster of uronic and sulfated monosaccharides confers to Infernan functional and biological activities. We characterized the 3-dimensional structures and dynamics along Molecular Dynamics trajectories and clustered the conformations in extended two-fold and five-fold helical structures. The electrostatic potential distribution over all the structures revealed negatively charged cavities explored for Ca2+ binding through quantum chemistry computation. The transposition of the model of Ca2+complexation indicates that the five-fold helices are the most favourable for interactions. The ribbon-like shape of two-fold helices brings neighbouring chains in proximity without steric clashes. The cavity chelating the Ca2+ of one chain is completed throughout the interaction of a sulfate group from the neighbouring chain. The resulting is a ‘junction zone’ based on unique chain-chain interactions governed by a heterotypic binding mode. |
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